CAS RN: 957060-96-7
2-Chloro-5-cyanopyridin-3-ylboronic acid
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260307 | 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS957060-96-7
- Purity/Analytical Methods: >99.0%
957060-96-7 / (2-chloro-5-cyano-3-pyridinyl)boronic acid
Basic Information
CAS
957060-96-7
Multi CAS
No
Molecular Formula
C6H4BCLN2O2
Molecular Weight
182.370000
Exact Mass
182.005435
InChI
InChI=1S/C6H4BClN2O2/c8-6-5(7(11)12)1-4(2-9)3-10-6/h1,3,11-12H
InChIKey
JOXTUWQJEBJZEK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
2
Molar refractivity
43.79
TPSA
77.14
LogP / Solubility
WLOGP
-0.71
MLOGP
-0.63
XLogP3
-0.71
Consensus LogP
-0.68
Log S (ESOL)
-0.83
Class (ESOL)
Very soluble
Log S (Ali)
-0.54
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.37
Class (SILICOS-IT)
Very soluble
ADME
GI absorption
Low
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.34
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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